CID 1091369

L-tryptophan, n-((2,5-dichlorophenyl)sulfonyl)-

Structural Information

Molecular Formula
C17H14Cl2N2O4S
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C17H14Cl2N2O4S/c18-11-5-6-13(19)16(8-11)26(24,25)21-15(17(22)23)7-10-9-20-14-4-2-1-3-12(10)14/h1-6,8-9,15,20-21H,7H2,(H,22,23)/t15-/m0/s1
InChIKey
AWLLJTQGQKIITL-HNNXBMFYSA-N
Compound name
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.00513 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.01241 187.5
[M+Na]+ 434.99435 196.9
[M-H]- 410.99785 192.0
[M+NH4]+ 430.03895 199.9
[M+K]+ 450.96829 189.6
[M+H-H2O]+ 395.00239 182.7
[M+HCOO]- 457.00333 192.9
[M+CH3COO]- 471.01898 214.3
[M+Na-2H]- 432.97980 189.2
[M]+ 412.00458 194.0
[M]- 412.00568 194.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.